methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane

C27H59N3O2 — CID 161137938

IUPACmethane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC.C.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H17NO.C9H19N.C7H15NO.2CH4/c1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;;/h7-9H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyUNAVPEOGEOMMOC-UHFFFAOYSA-N
MW457.79 g/mol
LogP5.38
Rot. Bonds3

About methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane

methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 161137938) has the molecular formula C27H59N3O2 and a molecular weight of 457.79 g/mol. Its IUPAC name is methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID161137938
Molecular FormulaC27H59N3O2
Molecular Weight457.79 g/mol
Exact Mass457.46
IUPAC Namemethane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC.C.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1
InChIInChI=1S/C9H17NO.C9H19N.C7H15NO.2CH4/c1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;;/h7-9H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*1H4
InChIKeyUNAVPEOGEOMMOC-UHFFFAOYSA-N
XLogP5.38
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.79
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

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Launch Full Analysis

Related Compounds

fluoromethane;4-propan-2-ylmorpholine
CID 177187231
4-methyl-1-propan-2-ylpiperidine;sulfur dioxide
CID 161459747
ethane;4-methyl-1-propan-2-ylazepane
CID 144749711
butane;methane;4-propan-2-ylmorpholine;yttrium
CID 158385716
ethane;3-methyl-1-propan-2-ylpyrrolidine
CID 156888189
4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
4-propan-2-yl-1,4-oxazepane;hydrate
CID 176712925
4-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 167251730
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
4-[2-(1-propan-2-ylpiperidin-4-yl)oxypropan-2-yl]morpholine
CID 146947898
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
CID 161339699
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803

Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane (CID 161137938) is methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane is C.C.CC(C)N1CC2CCC(C1)O2.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.
What is the InChIKey of methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is UNAVPEOGEOMMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H19N.C7H15NO.2CH4/c1-7(2)10-5-8-3-4-9(6-10)11-8;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;;/h7-9H,3-6H2,1-2H3;8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2*1H4.
What are the key properties of methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane?
methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 457.79 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;3-propan-2-yl-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 161137938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).